[4-(4-nitrophenyl)piperazin-1-yl]-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3/c33-27(30-17-15-29(16-18-30)23-11-13-24(14-12-23)32(34)35)25-20-31(19-21-7-3-1-4-8-21)28-26(25)22-9-5-2-6-10-22/h1-14,20H,15-19H2